ergo
organize_distrs_mm.h File Reference

Code for organizing a given set of primitive Gaussian distributions (typically coming from basis function products) regarding information related to multipole methods. More...

#include "organize_distrs.h"
#include "multipole.h"
#include <vector>

Go to the source code of this file.

Classes

struct  distr_org_mm_struct
 
struct  distr_org_mm_struct::Data
 
struct  distr_list_description_struct
 

Functions

int generate_multipoles_for_groups (const IntegralInfo &integralInfo, const distr_org_struct &org, distr_org_mm_struct &result_org_mm, ergo_real *averagePosList, int &avgPosCounter)
 
int get_multipole_pt_for_box (const ergo_real *boxCenterCoords, ergo_real boxWidth, const ergo_real *averagePosList, int avgPosCounter, ergo_real *resultMultipolePoint)
 
int translate_multipoles_for_box (distr_org_mm_struct &result_org_mm, const distr_org_struct &org, const MMTranslator &translator)
 
int combine_mm_info_for_child_boxes (distr_list_description_struct &result_box_branch, const distr_list_description_struct **child_box_branches, int noOfChildren, const MMTranslator &translator)
 

Detailed Description

Code for organizing a given set of primitive Gaussian distributions (typically coming from basis function products) regarding information related to multipole methods.

Author
: Elias Rudberg responsible

Function Documentation

◆ combine_mm_info_for_child_boxes()

◆ generate_multipoles_for_groups()

◆ get_multipole_pt_for_box()

int get_multipole_pt_for_box ( const ergo_real boxCenterCoords,
ergo_real  boxWidth,
const ergo_real averagePosList,
int  avgPosCounter,
ergo_real resultMultipolePoint 
)

◆ translate_multipoles_for_box()